N-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C11H15F3N2S — CID 106783273

IUPACN-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)C1CCC1
InChIInChI=1S/C11H15F3N2S/c1-2-15-9(7-4-3-5-7)8-6-16-10(17-8)11(12,13)14/h6-7,9,15H,2-5H2,1H3
InChIKeyUJCXYIAURMNZIF-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.61
Rot. Bonds4

About N-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106783273) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106783273
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC NameN-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)C1CCC1
InChIInChI=1S/C11H15F3N2S/c1-2-15-9(7-4-3-5-7)8-6-16-10(17-8)11(12,13)14/h6-7,9,15H,2-5H2,1H3
InChIKeyUJCXYIAURMNZIF-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 117721481
CID 117721481
CID 117721483
CID 117721483
CID 130390733
CID 130390733
CID 134404948
CID 134404948
CID 146435255
CID 146435255
CID 163385852
CID 163385852
CID 54883385
CID 54883385
CID 54883527
CID 54883527
CID 54883528
CID 54883528
CID 55109811
CID 55109811
CID 61686724
CID 61686724
CID 61686725
CID 61686725

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106783273) is N-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNC(c1cnc(C(F)(F)F)s1)C1CCC1.
What is the InChIKey of N-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is UJCXYIAURMNZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-2-15-9(7-4-3-5-7)8-6-16-10(17-8)11(12,13)14/h6-7,9,15H,2-5H2,1H3.
What are the key properties of N-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 264.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106783273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).